N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide

C17H16N2O2 — CID 876159

IUPACN-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C17H16N2O2/c1-3-16(20)18-13-7-8-15-14(10-13)19-17(21-15)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyZXVVAAUKKAEXFP-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.15
Rot. Bonds3

About N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide

N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide (PubChem CID 876159) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
PubChem CID876159
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C17H16N2O2/c1-3-16(20)18-13-7-8-15-14(10-13)19-17(21-15)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyZXVVAAUKKAEXFP-UHFFFAOYSA-N
XLogP4.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The IUPAC name of N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide (CID 876159) is N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide is CCC(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1.
What is the InChIKey of N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is ZXVVAAUKKAEXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-16(20)18-13-7-8-15-14(10-13)19-17(21-15)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide?
N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 280.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 876159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).